CID 2787515

123629-41-4

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)O)C
InChI
InChI=1S/C14H16N2O4/c1-3-20-13(18)11-8(2)15-14(19)16-12(11)9-4-6-10(17)7-5-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,19)
InChIKey
PRLATGWSLBXBHB-UHFFFAOYSA-N
Compound name
ethyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

276.111 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 163.6
[M+Na]+ 299.100218 170.6
[M-H]- 275.103724 163.8
[M+NH4]+ 294.144823 175.1
[M+K]+ 315.074158 165.9
[M+H-H2O]+ 259.108260 155.7
[M+HCOO]- 321.109201 178.1
[M+CH3COO]- 335.124851 192.7
[M+Na-2H]- 297.085666 164.4
[M]+ 276.11045142 160.6
[M]- 276.11154858 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe